SCHEMBL29017378

SCHEMBL29017378

OCC1(c2ccccc2)CCOC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
ICMT O60725 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29017375 1.00 MAOA (0.42) MAOAMAOBTAAR1TSHRALDH1A1
SCHEMBL29017350 0.91 ICMT (0.39) MAOAMAOBTAAR1TSHRALDH1A1
SCHEMBL24641080 0.90 MAOA (0.42) MAOAMAOBTAAR1TSHRALDH1A1
SCHEMBL29017424 0.89 DPP4 (0.46) MAOAMAOBTAAR1TSHRALDH1A1
SCHEMBL29017348 0.89 DPP4 (0.46) MAOAMAOBTAAR1TSHRALDH1A1
SCHEMBL1561557 0.86 MAOA (0.45) MAOAMAOBTAAR1TSHRALDH1A1
SCHEMBL29017365 0.82 P2RX7 (0.40) TAAR1ALDH1A1MAPK1L3MBTL1
SCHEMBL29017330 0.82 SLC6A3 (0.42) ICMT
SCHEMBL29017376 0.82 P2RX7 (0.47) ALDH1A1
SCHEMBL29017400 0.82 OPRM1 (0.45) ALDH1A1ICMTL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116240194-A Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof 中国科学院天津工业生物技术研究所 2023-06-09 CN claimed
CN-116240194-B Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof 中国科学院天津工业生物技术研究所 2024-11-12 CN disclosed
CN-116240194-A Limonene epoxy hydrolase mutant and catalytic synthesis of chiral oxygen/nitrogen-heterocyclic compound thereof 中国科学院天津工业生物技术研究所 2023-06-09 CN disclosed